EDWAV: internal error, the gradient is not orthogonal
Revision as of 14:24, 25 September 2015 by Michael Sluydts (talk | contribs) (Created page with "Seen in hybrid calculations (which hang). Start from a properly preconverged WAVECAR not CHGCAR. The internet suggests wrong intel libraries or overzealous optimization by the...")
Seen in hybrid calculations (which hang). Start from a properly preconverged WAVECAR not CHGCAR. The internet suggests wrong intel libraries or overzealous optimization by the compiler may be involved as well. It is also POTCAR-dependent.